SCHEMBL17072196

SCHEMBL17072196

Cc1ccc(/C=C/[C@@H](O)C(CO)NC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.48
SPHK2 Q9NRA0 1/20 0.47
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL17072198 1.00 SPHK1 (0.48) SPHK1SPHK2LMNACYP3A4CYP2C19
SCHEMBL17072197 1.00 SPHK1 (0.48) SPHK1SPHK2LMNACYP3A4CYP2C19
SCHEMBL17072203 0.87 SPHK1 (0.44) SPHK1SPHK2LMNAMAPTALDH1A1
SCHEMBL17072204 0.87 SPHK1 (0.44) SPHK1SPHK2LMNAMAPTALDH1A1
SCHEMBL17072202 0.87 SPHK1 (0.44) SPHK1SPHK2LMNAMAPTALDH1A1
SCHEMBL21287632 0.83 SPHK1 (0.66) SPHK1SPHK2LMNACYP3A4CYP2C19
SCHEMBL16865379 0.83 SPHK1 (0.42) SPHK1SPHK2LMNACYP3A4CYP2C19
SCHEMBL16865381 0.83 SPHK1 (0.42) SPHK1SPHK2LMNACYP3A4CYP2C19
SCHEMBL16865349 0.83 SPHK1 (0.42) SPHK1SPHK2LMNACYP3A4CYP2C19
SCHEMBL16859610 0.77 CYP3A4 (0.41) SPHK1SPHK2LMNACYP3A4CYP2C19

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-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed