SCHEMBL7435722

SCHEMBL7435722

O=[C]CNC1=CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PKM P14618 1/20 0.32
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1485867 0.77
SCHEMBL1485781 0.75 ALOX15 (0.38) CTSKALDH1A1ALOX15SMN1; SMN2HDAC4
SCHEMBL1485782 0.75 ALOX15 (0.38) CTSKALDH1A1ALOX15SMN1; SMN2HDAC4
SCHEMBL24087422 0.75 ALOX15 (0.38) CTSKALDH1A1ALOX15SMN1; SMN2HDAC4
SCHEMBL24467125 0.73 ALOX15 (0.37) CTSKALDH1A1ALOX15SMN1; SMN2HDAC4
SCHEMBL1485859 0.73 LMNA (0.37) CTSKALDH1A1ALOX15SMN1; SMN2HDAC4
SCHEMBL4633435 0.72
SCHEMBL8019345 0.72 SMN1; SMN2 (0.39) CTSKALDH1A1ALOX15SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL8461802 0.71 ALOX15 (0.34) ALDH1A1ALOX15SMN1; SMN2HDAC4HDAC2
Hydrochloric Acid SCHEMBL11871911 0.71 RAB9A (0.46) CTSKALDH1A1ALOX15SMN1; SMN2HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed
EP-0542525-B1 Antithrombotic agents LILLY CO ELI (US) 1998-07-08 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
CN-1036399-C Tripeptide antithrombotic agents LILLY CO ELI (US) 1997-11-12 CN disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
US-5252566-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-10-12 US disclosed
US-4248868-A FOR TREATING SYSTEMIC INFECTIONS BY GRAMPOSITIVE AND GRAM NEGATIVE BACTERIA CIBA-GEIGY CORPORATION (US) 1981-02-03 US disclosed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US disclosed
US-4224441-A Derivatives of 7-aminocephalosporanic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-09-23 US disclosed
US-4182866-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-01-08 US disclosed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US disclosed
US-4145540-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-20 US disclosed
US-4122258-A Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-10-24 US disclosed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 US disclosed
US-3984403-A PAINLESS INTRAMUSCULAR INJECTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed