SCHEMBL10729144

SCHEMBL10729144

CSc1cc(SC)c(OCC(=O)O)c(SC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CD69 Q07108 5/20 0.41
▸ ELANE P08246 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13534917 0.82 ALDH1A1 (0.57) CD69ELANEKMT2APOLBALDH1A1
SCHEMBL2059516 0.80 KMT2A (0.55) CD69KMT2APOLBALDH1A1KDM4E
SCHEMBL10732333 0.75 KMT2A (0.41) CD69ELANEKMT2AKDM4EPKM
SCHEMBL27650744 0.70 ALOX15 (0.59) KMT2AALDH1A1KDM4EALOX15TSHR
SCHEMBL11603848 0.69 LMNA (0.63) ALDH1A1PKMHTTALOX15TSHR
SCHEMBL13305753 0.68 PPARD (0.59) —
SCHEMBL9221920 0.68 L3MBTL1 (0.61) POLBALDH1A1KDM4EHTTALOX15
SCHEMBL2096303 0.68 CYP1A1 (0.40) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL11178901 0.67 ALOX15 (0.53) KMT2AALDH1A1KDM4EALOX15TSHR
SCHEMBL2096299 0.66 — —

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-4672065-A TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1987-06-09 — — US disclosed
US-4535087-A FOR TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1985-08-13 — — US disclosed
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