SCHEMBL31568643

SCHEMBL31568643

COC(=O)c1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C1OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.44
▸ HSD17B10 Q99714 6/20 0.44
▸ CYP2C19 P33261 4/20 0.44
▸ USP2 O75604 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 4/20 0.44
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SCD5 Q86SK9 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ GPR183 P32249 1/20 0.38
▸ GPR119 Q8TDV5 4/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL29148098 0.93 GPR183 (0.40) CYP3A4HSD17B10CYP2C19USP2CYP1A2
SCHEMBL30694298 0.93 GPR183 (0.40) CYP3A4HSD17B10CYP2C19USP2CYP1A2
SCHEMBL22454337 0.81 CYP3A4 (0.47) CYP3A4HSD17B10CYP2C19USP2ALDH1A1
SCHEMBL20231722 0.81 HSD17B10 (0.47) CYP3A4HSD17B10CYP2C19USP2ALDH1A1
SCHEMBL22297612 0.80 HSD17B10 (0.47) CYP3A4HSD17B10CYP2C19USP2ALDH1A1
SCHEMBL31155509 0.79 CYP3A4 (0.47) CYP3A4HSD17B10CYP2C19USP2ALDH1A1
SCHEMBL31155546 0.78 HSD17B10 (0.47) CYP3A4HSD17B10CYP2C19USP2ALDH1A1
SCHEMBL25313895 0.78 CYP3A4 (0.58) CYP3A4HSD17B10CYP2C19USP2ALDH1A1
SCHEMBL30702599 0.76 SIRT6 (0.35) CYP3A4HSD17B10CYP2C19USP2ALDH1A1
SCHEMBL31568634 0.75 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2

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
EP-4541795-A1 AROMATIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PREPARATION OF ESTROGEN RECEPTOR DEGRADER Hinova Pharmaceuticals Inc. (CN) 2025-04-23 — — EP disclosed
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