SCHEMBL8468976

SCHEMBL8468976

CCC1CCC(c2ccc(Oc3ccc(N)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
TEAD4 Q15561 1/20 0.43
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 2/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 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
SCHEMBL7752389 0.90 CYP2C9 (0.46) ALDH1A1CYP3A4MAPTCYP2C9MAPK1
SCHEMBL12062096 0.89 SLC6A2 (0.39) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL8468969 0.88 CYP2C9 (0.55) ALDH1A1TDP1TSHRCYP3A4TEAD4
SCHEMBL21770055 0.86 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4TEAD4
SCHEMBL3482287 0.86 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4TEAD4
SCHEMBL12241902 0.86 SLC6A2 (0.36) ALDH1A1CYP3A4MAPTNPC1RAB9A
SCHEMBL12241881 0.86 SLC6A2 (0.36) ALDH1A1CYP3A4MAPTNPC1RAB9A
SCHEMBL8466651 0.85 CYP2C9 (0.46) ALDH1A1TDP1TSHRCYP3A4TEAD4
SCHEMBL21474502 0.85 CYP2C9 (0.43) ALDH1A1TDP1CYP3A4MAPTNPC1
SCHEMBL7752367 0.85 CYP2C9 (0.43) ALDH1A1TDP1TSHRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5907005-A SUITABLE FOR PRODUCING A LIQUID CRYSTAL ALIGNING FILM WITH SPECIFIC THICKNESS CONSISTS OF POLYAMIC ACID OR POLYIMIDE, AND A SOLVENT CONSISTS OF N-METHYL-PYRROLIDONE AND DIMETHYL IMIDAZOLIDINONE, AN ALKYL LACTATE AND AN ETHER CHISSO CORPORATION (JP) 1999-05-25 US disclosed
US-5798810-A RUBBING, IRRADIATING AND SEALING CHISSO CORPORATION (JP) 1998-08-25 US disclosed
US-5674575-A Liquid crystal aligning film and liquid crystal display device using it CHISSO CORPORATION (JP) 1997-10-07 US disclosed