SCHEMBL30212461

SCHEMBL30212461

CCC(=O)c1ccc(Oc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.42
RECQL P46063 1/20 0.41
P2RX3 P56373 3/20 0.40
ACACA Q13085 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
OXTR P30559 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PTPN1 P18031 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL25093232 0.83 NPC1 (0.41) RECQLKMT2AALDH1A1TSHRRAB9A
SCHEMBL27812384 0.79 ACACB (0.44) ACACBACACAKMT2AALDH1A1MAPT
SCHEMBL22065262 0.77 DRD3 (0.47) KMT2AALDH1A1LMNAMAPT
SCHEMBL26480953 0.74 MAPT (0.48) KMT2AALDH1A1TSHRLMNAMAPT
SCHEMBL27812383 0.74 L3MBTL1 (0.49) ACACBKMT2AALDH1A1RAB9ANPC1
SCHEMBL28069735 0.74 TDP1 (0.37) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL31680779 0.73 PTGS2 (0.45) ACACBACACAALDH1A1TSHRRAB9A
Bicarbonate SCHEMBL9555855 0.72 RAB9A (0.50) ACACBACACARXRARXRBKMT2A
SCHEMBL31680822 0.72 P4HTM (0.41) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL18611555 0.71 HRH3 (0.50) ALDH1A1

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed