SCHEMBL31029271

SCHEMBL31029271

ClCCCCCCCCCCCC=CCCCCCCCCCCCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 5/20 0.38
TRPV1 Q8NER1 1/20 0.38
TERT O14746 3/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
BLM P54132 2/20 0.32
HSD17B10 Q99714 2/20 0.32
FABP4 P15090 2/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32
PTPN1 P18031 2/20 0.32
PPARG P37231 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL28999304 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL28999216 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL28999260 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL28999278 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL8378245 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL11672310 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL28999160 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL31029273 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL31029268 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1
SCHEMBL28999142 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1FAAHTRPV1

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-116063345-B Phosphonic acid group monomer and preparation method thereof 中国石油化工股份有限公司 2024-08-06 CN disclosed