SCHEMBL11732914

SCHEMBL11732914

O=C(Cl)c1ccccc1NC(=O)C1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.68
▸ HPGD P15428 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ HSD17B10 Q99714 1/20 0.68
▸ CETP P11597 1/20 0.60
▸ HDAC3 O15379 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RXFP1 Q9HBX9 10/20 0.55
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ RXFP2 Q8WXD0 1/20 0.52

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
SCHEMBL11734795 0.85 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL11732563 0.84 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL7814976 0.84 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL28258088 0.83 CETP (0.77) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL28256535 0.83 CETP (0.77) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL12323604 0.83 CETP (0.77) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL7733805 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL4839328 0.83 SIRT2 (0.75) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL11729230 0.82 ALDH1A1 (0.66) ALDH1A1HPGDKDM4ENPSR1HSD17B10
Hydrochloric Acid SCHEMBL5243116 0.81 SIRT2 (0.73) ALDH1A1HPGDKDM4ENPSR1HSD17B10

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-4001218-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 — — US disclosed
US-3982011-A ANTIBIOTICS, ANIMAL GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 — — US disclosed
US-3931153-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 — — US disclosed
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