SCHEMBL9057710

SCHEMBL9057710

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.49
CYP3A4 P08684 2/20 0.49
MMP2 P08253 2/20 0.44
MMP3 P08254 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
NR1H4 Q96RI1 1/20 0.38
CYP2D6 P10635 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL23367797 0.79 HIF1A (0.41) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL7900745 0.77 KDM1A (0.46) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL9924742 0.75 MMP2 (0.61) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL20851318 0.75 MAPT (0.58) AAK1CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL10927812 0.73 KDM1A (0.40) AAK1CYP3A4MMP2MMP3ALDH1A1
SCHEMBL8956799 0.73 ADRB2 (0.45) CYP3A4ALDH1A1MAPTTSHRLMNA
SCHEMBL9057992 0.73 AAK1 (0.53) AAK1CYP3A4MMP2MMP3ALDH1A1
SCHEMBL7899217 0.72 MAOA (0.48) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL10928111 0.72 CHRNA7 (0.40) MMP2MMP3ALDH1A1HPGDMAPT
SCHEMBL10929262 0.70 KDM1A (0.38) AAK1CYP3A4MMP2MMP3ALDH1A1

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