SCHEMBL29894504

SCHEMBL29894504

COc1cc2c(cc1OC)C(C(=O)c1ccc3occc3c1O)CCO2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ PTGDR2 Q9Y5Y4 11/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL1934352 0.74 MAPK1 (0.53) PTGDR2CYP1A2TSHR
SCHEMBL1934355 0.74 MAPK1 (0.53) PTGDR2CYP1A2TSHR
SCHEMBL12343777 0.73 PTGDR2 (0.38) PTGDR2
SCHEMBL11939511 0.71 HIF1A (0.56) CYP1A2TSHR
SCHEMBL4124579 0.67 MAPK1 (0.45) PTGDR2CYP1A2TSHR
SCHEMBL4114087 0.67 MAPT (0.49) PTGDR2CYP1A2TSHR
SCHEMBL16694297 0.67 COXFA4 (0.52) PTGDR2CYP1A2TSHR
SCHEMBL16867638 0.67 COXFA4 (0.52) PTGDR2CYP1A2TSHR
SCHEMBL2047943 0.65 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2TSHR
SCHEMBL1581546 0.63 PTPN1 (0.48) CYP1A1CYP1B1CYP1A2TSHR

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
WO-2022208169-A1 PULSATILE PROTOCOLS FOR CANCER TREATMENT METHODS AND USES CLINICS OPERATIONS LIMITED (GB) 2022-10-06 — — WO disclosed
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