SCHEMBL31474036

SCHEMBL31474036

COC(=O)c1cc2c(cc1F)C1(CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIN1 Q13526 3/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
RXRA P19793 2/20 0.33
RARA P10276 1/20 0.33
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
PDK2 Q15119 2/20 0.32

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
SCHEMBL31474080 0.85 RXRA (0.42) SYKPKMALDH1A1HPGDTSHR
SCHEMBL31474013 0.81 RXRA (0.39) SYKALDH1A1HPGDHSD17B10RARB
SCHEMBL31474074 0.80 DGAT1 (0.38) ALDH1A1RARBRARGRXRARARA
SCHEMBL883735 0.74 RAB9A (0.42) PKMALDH1A1HPGDTSHRHSD17B10
SCHEMBL31474057 0.74 PKM (0.36) SYKPKMALDH1A1HPGDTSHR
SCHEMBL31474132 0.74 KDM4E (0.41) PKMALDH1A1HPGDTSHRHSD17B10
SCHEMBL522786 0.73 CA12 (0.47) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL31474127 0.71 PDK2 (0.35) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL17276295 0.70 RARG (0.42) PKMALDH1A1HPGDTSHRHSD17B10
SCHEMBL24570280 0.70 KDM4E (0.38) PKMALDH1A1HPGDTSHRHSD17B10

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
CN-120081791-A Heteroaryl compounds, process for their preparation and their use in medicine 江苏恒瑞医药股份有限公司 2025-06-03 CN disclosed
WO-2025061148-A1 HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2025-03-27 WO disclosed