SCHEMBL9075580

SCHEMBL9075580

CCCCCCCc1ccc(C(=O)CCCCC(=O)O)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.49
SCD O00767 1/20 0.47
HDAC11 Q96DB2 4/20 0.45
F13A1 P00488 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
PPARG P37231 4/20 0.45
PPARD Q03181 4/20 0.45
PPARA Q07869 4/20 0.45
TSHR P16473 3/20 0.45

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
SCHEMBL9761038 0.83 RARB (0.53) TSHRALDH1A1MEN1KMT2A
SCHEMBL7575468 0.83 RARB (0.53) TSHRALDH1A1MEN1KMT2A
SCHEMBL8217393 0.82 RARB (0.51) TSHRALDH1A1MEN1KMT2A
SCHEMBL9075699 0.81 THRA (0.51) HSD17B3SCDPPARGPPARAALDH1A1
SCHEMBL9078392 0.78 HSD17B3 (0.59) HSD17B3ALDH1A1MEN1KMT2AFFAR1
SCHEMBL27623675 0.78 HSD17B3 (0.54) HSD17B3PPARA
SCHEMBL2187201 0.77 HSD17B3 (0.61) HSD17B3ALDH1A1MEN1KMT2AFFAR1
SCHEMBL296585 0.77 HSD17B3 (0.61) HSD17B3ALDH1A1MEN1KMT2AFFAR1
SCHEMBL247527 0.77 HSD17B3 (0.61) HSD17B3ALDH1A1MEN1KMT2AFFAR1
SCHEMBL27623405 0.77 HSD17B3 (0.61) HSD17B3ALDH1A1MEN1KMT2AFFAR1

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-5504244-A 3-(4-N-PENTYLPHENYLACYL)BENZOIC ACID OR SALT OR ESTER BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-04-02 US disclosed