SCHEMBL11744081

SCHEMBL11744081

CC(C=O)c1ccc2ccc(-c3ccccc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ PTGS2 P35354 2/20 0.42
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ UGT2B7 P16662 1/20 0.40
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ PGR P06401 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL28941800 0.83 ESR1 (0.55) ESR1ESR2PTGS2RXRARXRB
SCHEMBL1663207 0.83 UGT2B7 (0.57) UGT2B7
SCHEMBL10381408 0.83 UGT2B7 (0.57) UGT2B7
SCHEMBL29809804 0.83 UGT2B7 (0.57) UGT2B7
SCHEMBL10594958 0.82 PTGS2 (0.53) PTGS2
SCHEMBL7564603 0.81 RXRA (0.49) PTGS2RXRARXRBRXRGPTPN5
SCHEMBL11743708 0.81 TYR (0.44) PTGS2UGT2B7AKR1C3AKR1C2
SCHEMBL29594785 0.78 UGT2B7 (0.43) PTGS2UGT2B7AKR1C3AKR1C2
SCHEMBL11801547 0.77 TYR (0.44) PTGS2UGT2B7AKR1C3AKR1C2
SCHEMBL11802179 0.76 CYP2A6 (0.52) UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 — — US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 — — US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 — — US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 — — US disclosed
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