SCHEMBL28594375

SCHEMBL28594375

COC(=O)C1(Oc2ccc(C(=O)c3c(Cl)cccc3Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.39
DOT1L Q8TEK3 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
SPR P35270 1/20 0.34
P2RX7 Q99572 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
RXRA P19793 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL28591571 0.86 KMT2A (0.39) KMT2AMAPTPOLBPPARGPPARA
SCHEMBL28586022 0.86 KMT2A (0.39) KMT2AHPGDDOT1LMAPTITGB1
SCHEMBL28594380 0.85 KMT2A (0.40) KMT2AHPGDMAPTRAB9AALDH1A1
SCHEMBL28596203 0.85 HPGD (0.57) KMT2AHPGDMAPTRAB9APOLB
SCHEMBL28588046 0.85 KMT2A (0.40) KMT2AHPGDDOT1LPOLBPPARG
SCHEMBL28594377 0.84 EPHX2 (0.40) KMT2ARAB9ASPRALDH1A1NPC1
SCHEMBL28586027 0.83 GRM5 (0.43) KMT2AHPGDMAPTRAB9APOLB
SCHEMBL28585572 0.83 ELANE (0.50) KMT2AHPGDMAPTALDH1A1NPC1
SCHEMBL28590421 0.83 SRD5A2 (0.48) KMT2AHPGDMAPTRAB9AALDH1A1
SCHEMBL28588033 0.80 LMNA (0.48) KMT2AHPGDMAPTRAB9AALDH1A1

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