SCHEMBL24312526

SCHEMBL24312526

CC1(C)CC(=O)C(=C(CCCCC(=O)NCCCC[C@H](NC(=O)CCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC2SCC3NC(=O)N[C@@H]32)NCCOCCOCCNC(=O)CCC2(C)N=N2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.49
▸ CNR1 P21554 2/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ TPSAB1 Q15661 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42
▸ CAPN1 P07384 2/20 0.41
▸ PLG P00747 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL22768916 1.00 FOLH1 (0.49) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22769243 0.88 FOLH1 (0.45) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22768915 0.86 FOLH1 (0.46) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22769194 0.86 FOLH1 (0.47) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22769259 0.85 FOLH1 (0.44) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22769219 0.85 FOLH1 (0.47) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22769274 0.81 FOLH1 (0.44) FOLH1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24312560 0.80 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL24312523 0.80 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3
SCHEMBL22768973 0.80 FOLH1 (0.52) FOLH1CNR1PRSS1PRSS2PRSS3

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
EP-3981772-A1 TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-04-13 — — EP disclosed
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