SCHEMBL29092203

SCHEMBL29092203

Cc1c(-c2ccccc2O)ccc(C(C)(C)C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CA2 P00918 1/20 0.38
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
ATP2A2 P16615 1/20 0.35
ATP2A3 Q93084 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL7517688 0.78 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10HPGDBCL2L1
SCHEMBL2497617 0.78 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HSD17B10HPGD
SCHEMBL26193895 0.77 GABRA1 (0.44) ALDH1A1TSHRTDP1CA2TRPA1
SCHEMBL4662726 0.76 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10HPGD
SCHEMBL28360581 0.76 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HSD17B10HPGD
SCHEMBL28494201 0.76 ALDH1A1 (0.53) ALDH1A1TSHRTDP1HSD17B10HPGD
SCHEMBL30341592 0.76 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10HPGD
SCHEMBL27572785 0.76 ATM (0.48) ALDH1A1TSHRTDP1HSD17B10HPGD
SCHEMBL29113726 0.75 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HSD17B10HPGD
SCHEMBL8680603 0.75 PDCD1 (0.41) ALDH1A1TSHRTDP1HSD17B10HPGD

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
CN-116507675-A Polyaminosiloxane water-proof treeing agent for electric insulation 陶氏环球技术有限责任公司 2023-07-28 CN disclosed