SCHEMBL9057992

SCHEMBL9057992

CC(C)C[C@H](Cl)COc1ccc(-c2ccc(-c3ccc(OC[C@@H](Cl)CC(C)C)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MMP2 P08253 2/20 0.38
MMP3 P08254 1/20 0.38
RARB P10826 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
S1PR1 P21453 1/20 0.37
TP53 P04637 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
SCHEMBL20851318 0.79 MAPT (0.58) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL7089770 0.76 CYP2C9 (0.43) AAK1CYP3A4ALDH1A1HPGDMAPT
SCHEMBL10928111 0.73 CHRNA7 (0.40) ALDH1A1HPGDMAPTLMNAMMP2
SCHEMBL9057710 0.73 AAK1 (0.49) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL14465630 0.72 HPGD (0.51) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL20851317 0.72 HPGD (0.70) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL14672093 0.72 MAPT (0.57) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL123415 0.71 MAPT (0.55) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL3685845 0.71 AAK1 (0.46) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL8956858 0.70 SLC1A5 (0.48) CYP3A4ALDH1A1KDM4EMAPTLMNA

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
EP-0407830-B1 Polarizer HOFFMANN LA ROCHE (CH) 1996-09-25 EP disclosed