SCHEMBL29129745

SCHEMBL29129745

Cc1ccc(OCC(O)CN(C)c2cccc(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.50
▸ CDK4 P11802 2/20 0.49
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44

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
SCHEMBL12637623 0.86 TSHR (0.53) HIF1ACDK4USP2TSHRMEN1
SCHEMBL11422003 0.83 MAPT (0.44) HIF1AMEN1KMT2AADRB2ADRB1
SCHEMBL9100854 0.78 CETP (0.45) MAPTKDM4ELMNANPSR1HSD17B1
SCHEMBL11505627 0.78 HIF1A (0.55) HIF1ACDK4ADRB2ADRB1KDM4E
SCHEMBL22639742 0.78 CDK4 (0.67) HIF1ACDK4USP2TSHRMEN1
SCHEMBL19405224 0.78 CDK4 (0.67) HIF1ACDK4USP2TSHRMEN1
SCHEMBL11663021 0.76 POLB (0.51) HIF1ATSHRMEN1KMT2AADRB2
SCHEMBL14173759 0.76 MAPK1 (0.50) HIF1AUSP2TSHRMEN1KMT2A
SCHEMBL20553480 0.75 HIF1A (0.50) HIF1ACDK4TSHRMEN1KMT2A
SCHEMBL6259022 0.75 USP2 (0.54) HIF1ACDK4USP2TSHRMEN1

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-117255814-A Catechol-containing film material 米塞尔聚合物公司 2023-12-19 — — CN disclosed
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