SCHEMBL11664463

SCHEMBL11664463

CCOC(=O)CCCCC(C)CN1C(=O)CCC1CO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 9/20 0.39
▸ PTGER3 P43115 7/20 0.39
▸ PTGER2 P43116 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FKBP1A P62942 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL11665505 0.86 PTGER4 (0.39) PTGER4PTGER3PTGER2CYP1A2FKBP1A
SCHEMBL4994022 0.82 PTGER4 (0.47) PTGER4PTGER3PTGER2ALDH1A1USP2
SCHEMBL4994025 0.82 PTGER4 (0.47) PTGER4PTGER3PTGER2ALDH1A1USP2
SCHEMBL4909119 0.79 ABL1 (0.38) PTGER4PTGER3PTGER2ALDH1A1USP2
SCHEMBL11664469 0.77 PTGER4 (0.61) PTGER4PTGER3PTGER2
SCHEMBL11663532 0.74 PTGER4 (0.50) PTGER4PTGER3PTGER2
SCHEMBL265785 0.70 TDP1 (0.39) PTGER4PTGER3PTGER2ALDH1A1USP2
SCHEMBL11624113 0.69 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL16088758 0.69 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL27932302 0.68 CYP1A2 (0.52) ALDH1A1USP2ALOX15TDP1CYP4F2

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-4115401-A RESPIRATORY DISORDERS LABAZ (FR) 1978-09-19 — — US disclosed
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