SCHEMBL20183979

SCHEMBL20183979

CCCCC(CC)Cc1ccc(P(=O)(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.40
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR2 O95136 2/20 0.40
S1PR4 O95977 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CA2 P00918 3/20 0.39
FDPS P14324 1/20 0.38
ENPP2 Q13822 1/20 0.37
BDKRB2 P30411 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Phosphoric Acid SCHEMBL27973641 0.84 L3MBTL1 (0.41) L3MBTL1TSHRGLAHTTCYP3A4
SCHEMBL153634 0.83 BDKRB2 (0.48) L3MBTL1TSHRGLAHTTCYP3A4
SCHEMBL9807562 0.81 CYP2C19 (0.42) L3MBTL1TSHRGLAHTTCYP3A4
SCHEMBL5936017 0.81 BLM (0.45) L3MBTL1CYP3A4S1PR1ALDH1A1CA2
Formic Acid SCHEMBL28247722 0.80 ALDH1A1 (0.44) L3MBTL1TSHRGLAHTTCYP3A4
SCHEMBL105942 0.78 ESR1 (0.51) CYP3A4ALDH1A1CA2BDKRB2LMNA
SCHEMBL3419642 0.78 BDKRB2 (0.42) L3MBTL1TSHRGLAHTTCYP3A4
SCHEMBL27898397 0.78 ALDH1A1 (0.50) L3MBTL1TSHRGLAHTTCYP3A4
SCHEMBL28293993 0.77 ESR1 (0.50) CYP3A4ALDH1A1CA2BDKRB2LMNA
SCHEMBL1033135 0.76 BDKRB2 (0.43) L3MBTL1TSHRGLAHTTCYP3A4

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-20180208708-A1 RIGID POLYURETHANE RESIN COMPOSITION, RIGID POLYURETHANE RESIN, MOLDED ARTICLE, AND FIBER REINFORCED PLASTIC MITSUI CHEMICALS, INC. (JP) 2018-07-26 US disclosed
EP-3327058-A1 HARD POLYURETHANE RESIN COMPOSITION, HARD POLYURETHANE RESIN, MOLDED ARTICLE, AND FIBER-REINFORCED PLASTIC Mitsui Chemicals, Inc. (JP) 2018-05-30 EP disclosed