SCHEMBL9690197

SCHEMBL9690197

Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCc1ccc3c(c1)OCO3)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.41
CYP2C9 P11712 2/20 0.41
GSTP1 P09211 1/20 0.41
TTPA P49638 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1I2 O75469 1/20 0.41
ALOX5 P09917 3/20 0.41
DPP7 Q9UHL4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL15821679 0.82 MAPT (0.46) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL9688222 0.82 ALOX5 (0.46) KDM4EMEN1KMT2AMAPTTDP1
SCHEMBL9689570 0.77 ALOX5 (0.59) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL9690246 0.75 MAPT (0.45) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL9690390 0.75 ALOX5 (0.50) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL9689581 0.73 CYP4F2 (0.45) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL17372973 0.73 MAPT (0.44) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL9689563 0.73 ALOX5 (0.49) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL18933886 0.73 MAPT (0.55) MEN1KMT2AMAPTTDP1LMNA
SCHEMBL15820294 0.72 MAPT (0.53) MEN1KMT2AMAPTTDP1LMNA

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
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed