SCHEMBL11815161

SCHEMBL11815161

CCNCCCC(=O)c1ccc2c(c1)Oc1cc(C(=O)CCCNCC)ccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B3 P37058 6/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CTNNB1 P35222 2/20 0.35
▸ WNT3A P56704 2/20 0.35
▸ TP53 P04637 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ NPC1 O15118 2/20 0.33

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
SCHEMBL11676745 0.72 RAB9A (0.50) ALDH1A1KDM4EHSD17B3SMN1; SMN2LMNA
SCHEMBL11819666 0.72 HPGD (0.40) HPGDATMCTNNB1WNT3A
SCHEMBL11819443 0.72 THRA (0.48) HPGDALDH1A1CTNNB1WNT3AMAPT
SCHEMBL11817359 0.71 CTNNB1 (0.39) HPGDALDH1A1CTNNB1WNT3ASMN1; SMN2
Hydrochloric Acid SCHEMBL11678025 0.71 RAB9A (0.49) ALDH1A1KDM4EHSD17B3SMN1; SMN2LMNA
SCHEMBL14141221 0.71 HTR7 (0.67) ALDH1A1KDM4EHSD17B3SMN1; SMN2LMNA
SCHEMBL10214294 0.71 ATM (0.50) HPGDALDH1A1KDM4EATMCTNNB1
Hydrochloric Acid SCHEMBL11819328 0.71 HPGD (0.39) HPGDATMCTNNB1WNT3ASMN1; SMN2
SCHEMBL10170811 0.71 ALDH1A1 (0.42) HPGDALDH1A1KDM4EATMCTNNB1
SCHEMBL11746200 0.69 ALDH1A1 (0.54) HPGDALDH1A1KDM4ETP53SMN1; SMN2

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-3937835-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 — — US disclosed
Send feedback