SCHEMBL28097757

SCHEMBL28097757

C=C(N)C(=O)Oc1ccc(CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.44
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7064540 0.85 RAB9A (0.56) RAB9AALDH1A1THRBSMN1; SMN2LMNA
SCHEMBL4594651 0.84 ELANE (0.56) RAB9AALDH1A1THRBSMN1; SMN2LMNA
SCHEMBL1835776 0.81 RAB9A (0.53) RAB9AALDH1A1THRBSMN1; SMN2RXRA
SCHEMBL28073639 0.79 CA1 (0.53) RAB9AALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL9577400 0.79 RAB9A (0.51) RAB9AALDH1A1THRBSMN1; SMN2LMNA
SCHEMBL16192677 0.79 ELANE (0.51) RAB9AALDH1A1THRBSMN1; SMN2RXRA
SCHEMBL17226397 0.78 KDM4E (0.38) ALDH1A1LMNACYP2C19KMT2A
SCHEMBL8382293 0.78 ALDH1A1 (0.47) RAB9AALDH1A1THRBSMN1; SMN2LMNA
SCHEMBL28729704 0.78 ALDH1A1 (0.47) RAB9AALDH1A1THRBSMN1; SMN2LMNA
SCHEMBL7061682 0.78 RAB9A (0.54) RAB9AALDH1A1THRBSMN1; SMN2LMNA

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-103917094-B Glucosylceramide Synthase Inhibitors 建新公司 2016-11-09 CN disclosed