SCHEMBL10694504

SCHEMBL10694504

COc1ccc(C2OC(=O)c3cc(N(C)C)ccc32)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
CYP19A1 P11511 2/20 0.44
ATM Q13315 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41

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
SCHEMBL11073178 0.95 CA2 (0.43) CA2CYP19A1ATMCYP3A4LMNA
SCHEMBL11068781 0.88 ATM (0.43) CA2CYP19A1ATMMAPTKDM4E
SCHEMBL11070344 0.88 SMN1; SMN2 (0.39) CA2ATMLMNATSHRMAPT
SCHEMBL11070254 0.87 LMNA (0.45) CA2LMNATSHRMAPTL3MBTL1
SCHEMBL10691577 0.87 NPC1 (0.50) CYP19A1LMNAMEN1KMT2ATSHR
SCHEMBL11073531 0.87 ALDH1A1 (0.43) CA2ATMLMNAMEN1KMT2A
SCHEMBL10692102 0.85 LMNA (0.44) CYP19A1ATMCYP3A4LMNATSHR
SCHEMBL11062345 0.83 ATM (0.47) CA2CYP19A1ATMLMNATSHR
SCHEMBL11070301 0.82 ATM (0.48) CYP19A1ATMCYP3A4CYP2C19LMNA
SCHEMBL10693011 0.80 CDK1 (0.50) TSHRMAPTKDM4EALDH1A1SMN1; SMN2

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-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US claimed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed
US-4443614-A LEUCO DYES, PHTHALEIN DYES, INDICATORS KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1984-04-17 US disclosed
US-4439610-A FROM AMINES AND PHTHALIDES, MULTISTAGE KANZAKI PAPER MANUFACTURING COMPANY, LTD. (JP) 1984-03-27 US disclosed
US-4045458-A FRIEDEL-CRAFTS CATALYSTS KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1977-08-30 US disclosed