SCHEMBL2887419

SCHEMBL2887419

Cc1c2ccccc2c(C)c2c1ccc1ccccc12.[CH]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.96
HPGD P15428 6/20 0.96
L3MBTL1 Q9Y468 5/20 0.96
TSHR P16473 4/20 0.96
CYP3A4 P08684 3/20 0.96
HIF1A Q16665 2/20 0.96
RAB9A P51151 2/20 0.96
MAPK1 P28482 1/20 0.96
CASP1 P29466 1/20 0.96
CASP7 P55210 1/20 0.96
ATM Q13315 1/20 0.96
CYP1A2 P05177 5/20 0.50
CYP2A6 P11509 3/20 0.50
HPRT1 P00492 1/20 0.48
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAOA P21397 1/20 0.42
HNF4A P41235 1/20 0.41
TYMS P04818 1/20 0.40
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL29531544 0.98 HSD17B10 (1.00) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL99213 0.98 HSD17B10 (1.00) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL29382459 0.98 HSD17B10 (1.00) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL29403351 0.98 HSD17B10 (1.00) HSD17B10HPGDL3MBTL1TSHRCYP3A4
Acetone SCHEMBL4624685 0.88 HPGD (0.81) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL10519360 0.85 HSD17B10 (0.76) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL15412953 0.84 HSD17B10 (0.76) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL8781298 0.84 HSD17B10 (0.73) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL28537289 0.83 HSD17B10 (0.73) HSD17B10HPGDL3MBTL1TSHRCYP3A4
SCHEMBL7612163 0.83 HSD17B10 (0.73) HSD17B10HPGDL3MBTL1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285995-A1 Identification and Characterization of Pregnancy-Associated Genetic Signatures and Use Thereof for Diagnosis and Treatment of Breast Cancer FOX CHASE CANCER CENTER 2010-11-11 US disclosed
WO-2009089102-A2 IDENTIFICATION AND CHARACTERIZATION OF PREGNANCY- ASSOCIATED GENETIC SIGNATURES AND USE THEREOF FOR DIAGNOSIS AND TREATMENT OF BREAST CANCER FOX CHASE CANCER CENTER (US) 2009-07-16 WO disclosed