SCHEMBL9856231

SCHEMBL9856231

CC(C)=CCSc1ccc(SCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 3/20 0.37
ICMT O60725 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
S100A4 P26447 2/20 0.35
CDC25A P30304 2/20 0.35
CDC25B P30305 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GMNN O75496 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL9856019 0.83 ALDH1A1 (0.35) CA2CA12CA1CA7CA13
SCHEMBL9856324 0.81 ALDH1A1 (0.47) CA12CA1ALDH1A1MTNR1AMTNR1B
SCHEMBL9189810 0.80 CA2 (0.41) CA2CA12CA1ALDH1A1ICMT
SCHEMBL4313725 0.79 ALDH1A1 (0.48) ALDH1A1MAPK1ICMTMTNR1AMTNR1B
SCHEMBL9856252 0.78 METAP2 (0.35) ICMTMTNR1AMTNR1BGMNNLMNA
SCHEMBL5846711 0.78 SMN1; SMN2 (0.44) ALDH1A1ICMTNPC1RAB9AMEN1
SCHEMBL8637757 0.78 CA2 (0.61) CA2CA12CA1CA7CA13
SCHEMBL9856329 0.75 MTNR1A (0.50) ALDH1A1MAPK1MTNR1AMTNR1BNPC1
SCHEMBL6091563 0.74 METAP2 (0.33) ICMTGMNNLMNACYP1A2CYP3A4
SCHEMBL9856327 0.74 MTNR1A (0.53) ALDH1A1MAPK1MTNR1AMTNR1BNPC1

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed