SCHEMBL11200775

SCHEMBL11200775

NCCSc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
IDO1 P14902 3/20 0.45
CCR2 P41597 1/20 0.44
AR P10275 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CA2 P00918 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
MPI P34949 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1436075 0.83 CYP2D6 (0.50) IDO1CCR2CYP3A4TSHRSLC6A4
SCHEMBL11206840 0.82 ALDH1A1 (0.47) ITGB2ICAM1ITGALIDO1CCR2
SCHEMBL18793099 0.78 ITGB2 (0.47) ITGB2ICAM1ITGALIDO1CCR2
SCHEMBL11841338 0.77 ITGB2 (0.46) ITGB2ICAM1ITGALIDO1AR
SCHEMBL11539625 0.77 ITGB2 (0.46) ITGB2ICAM1ITGALIDO1AR
SCHEMBL5576227 0.77 CYP1A2 (0.50) CYP3A4TSHRCYP1A2CYP2C9MAPK1
SCHEMBL6609114 0.76 SMN1; SMN2 (0.53) ITGB2ICAM1ITGALARMRGPRX4
SCHEMBL11210385 0.73 AR (0.49) ITGB2ICAM1ITGALARMRGPRX4
SCHEMBL5044607 0.73 ITGB2 (0.55) ITGB2ICAM1ITGALIDO1CYP3A4
SCHEMBL3165346 0.72 ITGB2 (0.72) ITGB2ICAM1ITGALIDO1AR

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
US-4394520-A SKIN DISORDERS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-07-19 US disclosed
US-4204064-A FOR TREATMENT OF SKIN OR SCALP L'OREAL (FR) 1980-05-20 US disclosed
US-4151301-A ANTISECRETORY L'OREAL (FR) 1979-04-24 US disclosed
US-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 US disclosed
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 US disclosed