SCHEMBL10980771

SCHEMBL10980771

COC(=O)C(S)(Cl)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PTPN2 P17706 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ PTPRB P23467 2/20 0.41
▸ PTPRC P08575 1/20 0.41
▸ PTPRG P23470 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ CTRB1 P17538 3/20 0.41
▸ CMA1 P23946 3/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ CTSG P08311 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SRC P12931 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPRA P18433 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 1/20 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
SCHEMBL9767865 0.83 KCNN4 (0.46) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL10981372 0.83 PTPN1 (0.48) KCNN4PTPN2PTPN1PTPRBPTPRC
SCHEMBL1863984 0.80 PTPN1 (0.51) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL3971720 0.78 HDAC3 (0.50) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL4956050 0.75 RIPK1 (0.45) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL6341497 0.75 SRC (0.45) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL27818975 0.75 KCNN4 (0.44) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL6344201 0.75 SRC (0.45) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL16672977 0.75 KCNN4 (0.44) KCNN4POLBPTPN2PTPN1PTPRB
SCHEMBL8493242 0.75 KCNN4 (0.44) KCNN4POLBPTPN2PTPN1PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4523012-A INTERMEDIATES FOR PRODUCTION OF D,L-CYSTEINE AND DERIVATIVES DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-06-11 — — US disclosed
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