SCHEMBL11005489

SCHEMBL11005489

Cc1cc(C)c(C)c(NC(=O)CCl)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.58
SMN1; SMN2 Q16637 10/20 0.57
LMNA P02545 8/20 0.57
HPGD P15428 4/20 0.57
NPC1 O15118 3/20 0.57
HTT P42858 5/20 0.51
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
EGFR P00533 1/20 0.47
RAB9A P51151 3/20 0.47
PAX8 Q06710 1/20 0.47
MAOB P27338 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MITF O75030 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7279962 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL7432721 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL11421509 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL3952909 0.80 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL25620098 0.78 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL29286736 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL10603992 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL11232605 0.76 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL307790 0.76 MEN1 (0.62) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL28678015 0.76 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAHPGDNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4510140-A HYPOTENSIVE AGENTS; ANTHIHISTAMINES; ANALGESICS; SEDATIVES RECORDATI S.A. (CH) 1985-04-09 US disclosed
EP-0074768-A2 Alkanoylanilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1983-03-23 EP disclosed