SCHEMBL28596143

SCHEMBL28596143

CCOC(=O)C1(Oc2ccc(C(=O)c3ccc(C)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
OPRM1 P35372 1/20 0.43
SRD5A2 P31213 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH2 P25021 4/20 0.39
HRH1 P35367 4/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
ACACB O00763 1/20 0.38
MAOB P27338 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
SCHEMBL28594379 0.90 ELANE (0.49) ALDH1A1LMNAOPRM1HPGDRAB9A
SCHEMBL28603385 0.89 KMT2A (0.49) ALDH1A1LMNASRD5A2HPGDRAB9A
SCHEMBL28593736 0.89 HRH2 (0.50) ALDH1A1LMNAOPRM1HPGDKMT2A
SCHEMBL28591389 0.89 KMT2A (0.50) ALDH1A1LMNAOPRM1HPGDKMT2A
SCHEMBL10188237 0.88 OPRM1 (0.47) ALDH1A1LMNAOPRM1KMT2AMEN1
SCHEMBL28605216 0.85 SRD5A2 (0.43) SRD5A2HPGDRAB9AKMT2ANPSR1
SCHEMBL28602999 0.85 ALDH1A1 (0.38) ALDH1A1LMNAHPGDRAB9AKMT2A
SCHEMBL28588033 0.85 LMNA (0.48) ALDH1A1LMNASRD5A2HPGDRAB9A
SCHEMBL28602998 0.84 MAPT (0.45) ALDH1A1LMNAHPGDKMT2ANPSR1
SCHEMBL28593739 0.84 OPRM1 (0.45) ALDH1A1LMNAOPRM1SRD5A2HPGD

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-113121331-A Phenoxy aromatic acid compound with cyclopropyl and pharmaceutically acceptable salt thereof, and preparation method and application thereof 华创合成制药股份有限公司 2021-07-16 CN claimed