SCHEMBL8663433

SCHEMBL8663433

C=CCCCCCCCCOC(=O)C(=O)OCCCCCCCCC=C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.53
LPAR2 Q9HBW0 1/20 0.53
ALDH1A1 P00352 5/20 0.52
TSHR P16473 5/20 0.52
CYP3A4 P08684 3/20 0.52
MAPT P10636 3/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 2/20 0.48
USP2 O75604 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
SLC2A1 P11166 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9246275 0.91 ALDH1A1 (0.44) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL10991327 0.86 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL6951113 0.86 LPAR3 (0.53) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL23321924 0.86 TSHR (0.65) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL23322252 0.86 TSHR (0.65) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL23321519 0.86 TSHR (0.65) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL23321995 0.86 TSHR (0.65) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL23321555 0.86 TSHR (0.65) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL23203417 0.86 TSHR (0.65) LPAR3LPAR2ALDH1A1TSHRCYP3A4
SCHEMBL23321954 0.86 TSHR (0.65) LPAR3LPAR2ALDH1A1TSHRCYP3A4

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-5726345-A Process for perfuming textiles FIRMENICH S.A. (CH) 1998-03-10 US claimed
US-5649979-A LAUNDERING IN PRESENCE OF ESTER COMPOUND WHICH RELEASES FRAGRANT ALCOHOL, ALDEHYDE OR KETONE FIRMENICH S.A. (CH) 1997-07-22 US claimed
US-5726345-A Process for perfuming textiles FIRMENICH S.A. (CH) 1998-03-10 US disclosed
US-5649979-A LAUNDERING IN PRESENCE OF ESTER COMPOUND WHICH RELEASES FRAGRANT ALCOHOL, ALDEHYDE OR KETONE FIRMENICH S.A. (CH) 1997-07-22 US disclosed