SCHEMBL8014571

SCHEMBL8014571

CCCCCCCOc1c(C(C)(C)C)cc(C(C)=O)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.49
THRB P10828 4/20 0.49
PLA2G2A P14555 1/20 0.45
GAA P10253 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL8010874 1.00 THRA (0.49) THRATHRBPLA2G2AGAARXRA
SCHEMBL8439090 1.00 THRA (0.49) THRATHRBPLA2G2AGAARXRA
SCHEMBL8000079 0.98 THRA (0.47) THRATHRBPLA2G2AGAARXRA
SCHEMBL8000062 0.94 RXRA (0.46) THRATHRBGAARXRA
SCHEMBL8008640 0.89 RXRA (0.44) THRATHRBRXRA
SCHEMBL25788096 0.88 PLA2G2A (0.60) THRATHRBPLA2G2ATP53TSHR
SCHEMBL8159583 0.82 CREBBP (0.42) THRBGAARXRATSHR
SCHEMBL10497889 0.80 SMPD1 (0.50) THRATHRBPLA2G2A
SCHEMBL10498877 0.80 SMPD1 (0.50) THRATHRBPLA2G2A
SCHEMBL10498337 0.80 SMPD1 (0.50) THRATHRBPLA2G2A

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
WO-2000026172-A1 TRIENOIC RETINOID COMPOUNDS AS RETINOIC ACID RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-05-11 WO disclosed
US-5998654-A SKIN DISORDERS; ANTICANCER AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-12-07 US disclosed