SCHEMBL789727

SCHEMBL789727

CCCC[C@H](CC)COC(=O)CCCCC(=O)O

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.87
CYP3A4 P08684 2/20 0.87
ATM Q13315 1/20 0.87
TDP1 Q9NUW8 1/20 0.87
RECQL P46063 1/20 0.55
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
CA2 P00918 1/20 0.50
MAPT P10636 1/20 0.50
PAM P19021 2/20 0.49
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1B1 P15121 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
GPR84 Q9NQS5 1/20 0.46

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
SCHEMBL433435 1.00 TSHR (0.87) TSHRCYP3A4ATMTDP1RECQL
Adipic Acid SCHEMBL8168861 1.00 TSHR (0.87) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL28461559 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL
Sebacic Acid SCHEMBL22973773 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL28513831 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL2039058 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL2049702 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL
Hexanoate SCHEMBL7030535 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL790237 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL3443419 0.98 TSHR (0.84) TSHRCYP3A4ATMTDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035065-A2 COSMETIC COMPOSITION COMPRISING AT LEAST ONE VOLATILE LINEAR ALKANE WITH A FATTY ESTER OR ALCOHOL AND AT LEAST ONE PLANT OIL L'OREAL (FR) 2012-03-22 WO claimed
US-9757317-B2 Cosmetic compositions and methods for inhibiting melanin synthesis THE PROCTER & GAMBLE COMPANY (US) 2017-09-12 US disclosed
WO-2012055812-A1 COSMETIC COMPOSITION COMPRISING A FATTY-CHAIN ALKOXYSILANE AND AN ANTIDANDRUFF AGENT. L'OREAL (FR) 2012-05-03 WO disclosed