SCHEMBL28077099

SCHEMBL28077099

O=C(O)CCCCCCCCCCCCCCCCCCCOOOOC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 5/20 0.48
LMNA P02545 3/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
GPR84 Q9NQS5 8/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL11707156 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLMNANFKB1PMP22
Hydrochloric Acid SCHEMBL29226163 0.98 ALDH1A1 (0.48) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL27082428 0.98 ALDH1A1 (0.48) ALDH1A1TSHRLMNANFKB1PMP22
Hydrochloric Acid SCHEMBL29226164 0.98 ALDH1A1 (0.48) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL1463450 0.94 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL27637184 0.94 ALDH1A1 (0.52) ALDH1A1TSHRLMNANFKB1PMP22
Ammonia Solution, Strong SCHEMBL28915466 0.92 ALDH1A1 (0.50) ALDH1A1TSHRLMNANFKB1PMP22
Ammonia Solution, Strong SCHEMBL15769500 0.92 ALDH1A1 (0.50) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL31601537 0.87 ALDH1A1 (0.40) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL2312951 0.85 ALDH1A1 (0.56) ALDH1A1TSHRLMNANFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102405039-B Comprise cosmetics or skin composition and cosmetic treatment method containing the polymer of connecting group 莱雅公司 2016-06-08 CN disclosed