SCHEMBL22839976

SCHEMBL22839976

Cc1ccc(CNCCCCC(NC(=O)NCC(=O)O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 15/20 0.61
▸ TGM2 P21980 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46

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
SCHEMBL20312089 1.00 FOLH1 (0.61) FOLH1TGM2CHRM2HDAC3HDAC4
SCHEMBL22840033 0.89 FOLH1 (0.76) FOLH1
SCHEMBL22840006 0.88 FOLH1 (0.77) FOLH1TGM2
SCHEMBL22839997 0.88 FOLH1 (0.77) FOLH1CHRM2
SCHEMBL20312204 0.88 FOLH1 (0.77) FOLH1TGM2
SCHEMBL24585283 0.88 FOLH1 (0.77) FOLH1
SCHEMBL11977626 0.87 FOLH1 (0.80) FOLH1
SCHEMBL15449629 0.87 FOLH1 (0.80) FOLH1
SCHEMBL24585284 0.87 FOLH1 (0.61) FOLH1
SCHEMBL24585291 0.84 FOLH1 (0.63) FOLH1TGM2

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
EP-3699162-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2022-06-29 — — EP disclosed
EP-3335736-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2020-12-30 — — EP disclosed
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