SCHEMBL11040982

SCHEMBL11040982

CCCCCP(=O)(OCCCC)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
LPAR3 Q9UBY5 6/20 0.50
LPAR2 Q9HBW0 3/20 0.50
LPAR1 Q92633 2/20 0.50
TSHR P16473 1/20 0.45
FAAH O00519 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11257559 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL9658989 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL28293262 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL8924586 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL9660441 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL11636666 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL7593201 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL9262124 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL3981117 0.98 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1FAAH
SCHEMBL11421377 0.98 CYP3A4 (0.61) CYP3A4LPAR3LPAR2LPAR1TSHR

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-4428923-A Continuous process for the production of hydrogen peroxide according to the anthraquinone process DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
US-3952089-A WATER STRIPPING, FREEZING DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-04-20 US disclosed