SCHEMBL7905596

SCHEMBL7905596

C/C(=C\OC(=O)CCC(=O)O/C=C(\C)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
NR1H4 Q96RI1 5/20 0.40
EPHX2 P34913 3/20 0.40
ESRRB O95718 1/20 0.40
ESRRG P62508 1/20 0.40
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
NR4A2 P43354 1/20 0.38
NLRP3 Q96P20 1/20 0.38
RXRG P48443 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7905599 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL6568186 0.94 LMNA (0.50) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL6568187 0.94 LMNA (0.50) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL7899340 0.88 POLB (0.47) LMNANR1H4EPHX2ESRRBESRRG
SCHEMBL7899338 0.88 POLB (0.47) LMNANR1H4EPHX2ESRRBESRRG
SCHEMBL5494077 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL5186509 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL5186521 0.88 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL6567605 0.87 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL6567600 0.87 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPTNR1H4EPHX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US claimed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP claimed
EP-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP claimed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0887335-A1 Precursor compounds GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 EP disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed