SCHEMBL11728524

SCHEMBL11728524

O=C(O)CCCCCCNS(=O)(=O)CCCCC(O)COCCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ FABP4 P15090 4/20 0.32
▸ PKM P14618 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11731423 0.86 FFAR4 (0.47) FFAR4FFAR1
SCHEMBL11603779 0.86 FFAR4 (0.42) FFAR4FFAR1ALDH1A1TBXA2RFABP4
SCHEMBL11728379 0.84 FFAR4 (0.48) FFAR4FFAR1ALDH1A1
SCHEMBL11728625 0.83 FFAR4 (0.44) FFAR4FFAR1ALDH1A1TBXA2RFABP4
SCHEMBL11730812 0.82 FFAR4 (0.40) FFAR4FFAR1ALDH1A1TBXA2RFABP4
SCHEMBL11601964 0.78 FFAR4 (0.47) FFAR4FFAR1ALDH1A1TBXA2RFABP4
SCHEMBL11729890 0.77 ALDH1A1 (0.45) ALDH1A1TBXA2RLMNATHRBL3MBTL1
Water SCHEMBL11728791 0.77 ALDH1A1 (0.44) ALDH1A1TBXA2RLMNATHRBL3MBTL1
SCHEMBL11656722 0.76 FFAR4 (0.41) FFAR4FFAR1ALDH1A1TBXA2R
SCHEMBL11728529 0.76 FFAR4 (0.36) FFAR4FFAR1

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
US-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
Send feedback