SCHEMBL9623978

SCHEMBL9623978

Cc1ccc(P(c2ccncc2)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
PTGS2 P35354 1/20 0.38
RAB9A P51151 6/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 3/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
STAT1 P42224 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
Hydrochloric Acid SCHEMBL3181039 0.84 ACHE (0.50) KMT2ATDP1ACHESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5421796 0.84 ACHE (0.50) KMT2ATDP1ACHESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4882106 0.84 ACHE (0.50) KMT2ATDP1ACHESMN1; SMN2LMNA
SCHEMBL617628 0.84 LMNA (0.47) KMT2ATDP1SMN1; SMN2LMNAKDM4E
SCHEMBL34181 0.84 ACHE (0.57) KMT2ATDP1ACHESMN1; SMN2LMNA
SCHEMBL15661400 0.84 ACHE (0.57) KMT2ATDP1ACHESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL14335450 0.81 ACHE (0.53) KMT2ATDP1ACHESMN1; SMN2LMNA
SCHEMBL8849358 0.81 ACHE (0.53) KMT2ATDP1ACHESMN1; SMN2LMNA
Bromide SCHEMBL3676874 0.81 ACHE (0.53) KMT2ATDP1ACHESMN1; SMN2LMNA
Bromide SCHEMBL7200758 0.81 ACHE (0.53) KMT2ATDP1ACHESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893172-B2 Oligomer and polymer comprising triphenyl phosphine units MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
US-20070031698-A1 Oligomer and polymer comprising triphenyl phosphine units COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2007-02-08 US disclosed
EP-0307026-B1 PROCESS FOR THE PREPARATION OF A BUTENE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-18 EP disclosed
EP-0271144-B1 PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-10-16 EP disclosed
EP-0282142-B1 PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-11 EP disclosed
US-4940787-A Process for the carbonylation of acetylenic unsaturated compounds SHELL OIL COMPANY (US) 1990-07-10 US disclosed
EP-0307026-A1 Process for the preparation of a butene SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-15 EP disclosed
US-4786443-A Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL OIL COMPANY (US) 1988-11-22 US disclosed
EP-0282142-A1 Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-14 EP disclosed
EP-0271144-A2 Process for the carbonylation of acetylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-15 EP disclosed