SCHEMBL31540171

SCHEMBL31540171

CC(=O)c1ncc(Oc2ccc(C3(c4ccc(C(=O)C(=O)O)cc4)CCOCC3)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HNF4A P41235 1/20 0.34
PTPRC P08575 3/20 0.33
PTPN1 P18031 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN2 P17706 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
PTPRF P10586 1/20 0.33
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 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
SCHEMBL31540186 0.75 ADORA3 (0.39) ALDH1A1MAPTRAB9AHPGDPOLB
SCHEMBL31540199 0.73 CPT1B (0.56) MAPTRAB9AHPGDPOLBPTPRC
SCHEMBL30212371 0.71 ACACB (0.39) ALDH1A1ADORA3
SCHEMBL30212279 0.70 ACACB (0.39) ALDH1A1ADORA3
SCHEMBL31540189 0.68 PREP (0.40) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL14831729 0.66 MAPT (0.46) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL31540181 0.65 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL24922550 0.63 HRH3 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL29847925 0.61 KMT2A (0.49) ALDH1A1KDM4ERAB9APOLBSMN1; SMN2
SCHEMBL4166171 0.61 PARP10 (0.64) PTPRCPTPN1PTPN2PTPRF

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-119684303-A Heterocyclic compound of difunctional degradable androgen receptor and application thereof 上海超阳药业有限公司 2025-03-25 CN disclosed