SCHEMBL28600299

SCHEMBL28600299

O=C(c1ccccc1)c1ccc(OC2(C(=O)O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.48
STS P08842 1/20 0.47
GAA P10253 1/20 0.47
SRD5A2 P31213 2/20 0.47
POLB P06746 2/20 0.45
PPARA Q07869 1/20 0.44

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
SCHEMBL28585419 0.87 HPGD (0.53) ELANEMEN1KMT2AALDH1A1SRD5A2
SCHEMBL28598291 0.87 MEN1 (0.53) MEN1KMT2ANPC1SRD5A2
SCHEMBL28605211 0.87 LTA4H (0.43) MEN1KMT2ANPC1ALDH1A1SRD5A2
SCHEMBL28581458 0.87 LMNA (0.52) ELANEMEN1KMT2ANPC1ALDH1A1
SCHEMBL28591385 0.85 TDP1 (0.41) ELANEMEN1KMT2ANPC1STS
SCHEMBL28590427 0.85 L3MBTL1 (0.41) ELANEMEN1KMT2ANPC1ALDH1A1
SCHEMBL28596198 0.85 KMT2A (0.47) MEN1KMT2ANPC1ALDH1A1STS
SCHEMBL27142106 0.85 AKR1C1 (0.41) MEN1KMT2AALDH1A1GAA
SCHEMBL28585572 0.84 ELANE (0.50) ELANEMEN1KMT2ANPC1ALDH1A1
SCHEMBL28918032 0.83 RXRA (0.36) ELANEMEN1KMT2ANPC1ALDH1A1

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