SCHEMBL7724395

SCHEMBL7724395

COc1ccc(C[C@@]23C(=O)CC[C@H]2[C@H]3C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP19A1 P11511 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD11B1 P28845 1/20 0.40
MAPK1 P28482 1/20 0.39
LDHA P00338 1/20 0.39
NPC1 O15118 2/20 0.39
NR3C1 P04150 1/20 0.39
GAA P10253 2/20 0.39
FKBP1A P62942 2/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL7732303 1.00 KMT2A (0.41) KMT2ARAB9AALDH1A1LMNACYP19A1
SCHEMBL7734453 0.79 SIGMAR1 (0.41) ALDH1A1LMNACYP19A1SIGMAR1
SCHEMBL7733074 0.79 SIGMAR1 (0.41) ALDH1A1LMNACYP19A1SIGMAR1
SCHEMBL7724378 0.75 HSD11B1 (0.42) KMT2ARAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL7733030 0.73 HSD17B1 (0.32) KMT2ACYP19A1
SCHEMBL7734160 0.71 HSD17B3 (0.42) CYP19A1HSD11B1
SCHEMBL7734241 0.69 CYP19A1 (0.41) LMNACYP19A1SMN1; SMN2MAPK1EPHX2
SCHEMBL7735247 0.68 MEN1 (0.39) KMT2AALDH1A1CYP19A1
SCHEMBL7733024 0.67 MEN1 (0.39) KMT2AALDH1A1CYP19A1
SCHEMBL7724362 0.67 FNTA (0.36) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407284-B1 CONTACTING WITH ENZYME; HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-18 US disclosed