SCHEMBL790237

SCHEMBL790237

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.84
TDP1 Q9NUW8 3/20 0.84
CYP3A4 P08684 2/20 0.84
ATM Q13315 1/20 0.84
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
RECQL P46063 1/20 0.54
MAPT P10636 1/20 0.53
PAM P19021 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
CA2 P00918 1/20 0.49
PPARG P37231 3/20 0.48
PPARD Q03181 3/20 0.48
PPARA Q07869 3/20 0.48
GPR84 Q9NQS5 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48

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
SCHEMBL27998443 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL2039058 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL27998752 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL28461559 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL2049702 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL3443419 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL27998399 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL28816517 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
Sebacic Acid SCHEMBL22973773 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL159885 1.00 TSHR (0.84) TSHRTDP1CYP3A4ATMALDH1A1

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
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
WO-2012055812-A1 COSMETIC COMPOSITION COMPRISING A FATTY-CHAIN ALKOXYSILANE AND AN ANTIDANDRUFF AGENT. L'OREAL (FR) 2012-05-03 WO disclosed