SCHEMBL7342642

SCHEMBL7342642

CC(C)(C)OC(=O)C(Cc1ccc(OCc2cccnc2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 4/20 0.49
▸ PTPN1 P18031 2/20 0.47
▸ ACACB O00763 1/20 0.46
▸ CMKLR2 P46091 1/20 0.43
▸ CMKLR1 Q99788 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ YAP1 P46937 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ BCL2 P10415 1/20 0.42
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL7342635 1.00 GPR132 (0.49) GPR132PTPN1ACACBCMKLR2CMKLR1
SCHEMBL7337146 0.91 PTPN1 (0.51) PTPN1CTSLYAP1BCL2
SCHEMBL31688488 0.89 GPR132 (0.63) GPR132ACACBCMKLR2CMKLR1
SCHEMBL7339216 0.87 PTPN1 (0.46) GPR132PTPN1BCL2
SCHEMBL7339224 0.87 PTPN1 (0.46) GPR132PTPN1BCL2
SCHEMBL7342692 0.86 PTPN1 (0.57) PTPN1YAP1BCL2
SCHEMBL7342697 0.86 PTPN1 (0.57) PTPN1YAP1BCL2
SCHEMBL28741504 0.84 MDM4 (0.52) CTSLCTSBPOLBMAPTTDP1
SCHEMBL28741502 0.84 MDM4 (0.52) CTSLCTSBPOLBMAPTTDP1
SCHEMBL7345627 0.84 PTPN1 (0.49) PTPN1YAP1MAPTTDP1BCL2

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US disclosed
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