SCHEMBL10469072

SCHEMBL10469072

COC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)c1cn(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ CTSL P07711 4/20 0.45
▸ CTSS P25774 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KYNU Q16719 1/20 0.44
▸ CTSK P43235 4/20 0.44
▸ CTSB P07858 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CASP1 P29466 1/20 0.43

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
SCHEMBL10772587 0.93 KDM4E (0.48) CTSLCTSSKDM4EMEN1KMT2A
SCHEMBL10467554 0.93 KDM4E (0.48) CTSLCTSSKDM4EMEN1KMT2A
SCHEMBL10466993 0.88 TRPM8 (0.43) TRPM8CTSLCTSSALDH1A1ALOX15
SCHEMBL10466059 0.87 TRPM8 (0.45) TRPM8CTSLCTSSALDH1A1ALOX15
Methoxymethane SCHEMBL10772620 0.82 CYP3A4 (0.43) CTSLCTSSMEN1KMT2ALMNA
Methoxymethane SCHEMBL10468364 0.82 CYP3A4 (0.43) CTSLCTSSMEN1KMT2ALMNA
Methoxymethane SCHEMBL10467400 0.81 KDM4E (0.50) CTSLCTSSALDH1A1KDM4EMEN1
Methoxymethane SCHEMBL10775780 0.81 KDM4E (0.50) CTSLCTSSALDH1A1KDM4EMEN1
SCHEMBL10467546 0.81 TRPM8 (0.45) TRPM8CTSLCTSSALDH1A1ALOX15
SCHEMBL10776104 0.80 TRPM8 (0.47) TRPM8CTSLCTSSALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 — — US disclosed
EP-0181152-B1 PIPERAZINE COMPOUND AS PAF-ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 — — EP disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 — — US disclosed
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