SCHEMBL6246243

SCHEMBL6246243

C=CCC1(CC=C)CCNc2ccc(Br)cc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
CMA1 P23946 1/20 0.31
AHR P35869 1/20 0.31
CTSL P07711 1/20 0.31
LMNA P02545 2/20 0.30
PKM P14618 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
AKR1B1 P15121 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL6247872 0.88 CMA1 (0.34) CMA1AHR
SCHEMBL7680544 0.79 RARB (0.38) RARARARBRARG
SCHEMBL7673834 0.78 KDM1A (0.45)
SCHEMBL6246180 0.73
SCHEMBL1396642 0.71 RARB (0.49) TP53CMA1AHRLMNAPKM
SCHEMBL7676307 0.71 BACE1 (0.33)
SCHEMBL7682166 0.71 LMNA (0.39) AHRLMNAAKR1B1
SCHEMBL6265386 0.68 RARB (0.30) RARBRARG
SCHEMBL31425904 0.68 CMA1 (0.33) CMA1AHRCTSL
SCHEMBL30309 0.67 L3MBTL1 (0.41) CMA1AHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354878-B1 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors ALLERGAN INC (US) 2005-11-23 EP disclosed
EP-1354878-A2 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors Allergan, Inc. (US) 2003-10-22 EP disclosed
EP-1117648-B1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN INC (US) 2003-08-06 EP disclosed
EP-1117648-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
WO-2000020397-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
US-6048873-A SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-11 US disclosed