SCHEMBL7716655

SCHEMBL7716655

CCOC(=O)CC(c1ccccc1)C(CC)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
F2 P00734 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F10 P00742 1/20 0.41
POLB P06746 3/20 0.41
SRC P12931 1/20 0.41
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.40
KCNA5 P22460 1/20 0.39

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
SCHEMBL5231181 0.79 TSHR (0.50) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL7717097 0.78 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2F10POLB
SCHEMBL19814922 0.78 TSHR (0.49) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL5972748 0.77 TSHR (0.55) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL7178642 0.75 ALDH1A1 (0.55) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL16624893 0.74 MEN1 (0.48) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL30040482 0.74 F2 (0.56) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL27322176 0.74 TSHR (0.51) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL4405154 0.74 F2 (0.56) ALDH1A1TSHRF2MEN1KMT2A
SCHEMBL232194 0.74 F2 (0.59) ALDH1A1TSHRF2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed