SCHEMBL11200675

SCHEMBL11200675

O=C(CCl)NCC(S)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 3/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
LMNA P02545 2/20 0.46
CNR1 P21554 3/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MITF O75030 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
BCAT2 O15382 1/20 0.41
CNR2 P34972 2/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ASAH1 Q13510 1/20 0.40
HPGD P15428 2/20 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
SCHEMBL4862612 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL4855491 0.81 BCAT2 (0.64) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL18204441 0.79 MTNR1A (0.58) SMN1; SMN2RAB9ANPC1MTNR1AMTNR1B
SCHEMBL15671577 0.78 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL7090783 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL2427167 0.75 CNR1 (0.70) CNR1MTNR1AMTNR1BCNR2EPHX2
SCHEMBL8943316 0.75 TGM2 (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1MTNR1A
Hydrochloric Acid SCHEMBL4890327 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL5455431 0.72 CNR1 (0.57) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3
SCHEMBL11627441 0.72 CNR1 (0.46) ALDH1A1SMN1; SMN2CNR1CNR2EPHX2

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 4 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-4085217-A DERIVATIVES OF CYSTEINE OR CYSTEAMINE L'OREAL (FR) 1978-04-18 US disclosed
US-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 US disclosed