SCHEMBL9114767

SCHEMBL9114767

C=CCC(=O)O.C=Cc1ccc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLK2 Q86UE8 2/20 0.36
PDPK1 O15530 1/20 0.36
JAK3 P52333 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
PAM P19021 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL149121 0.79
SCHEMBL27904160 0.77
Benzene SCHEMBL11645295 0.74 ALDH1A1 (0.47) MAPTTSHRALDH1A1PAMMEN1
Pyrrole SCHEMBL5511228 0.73 ALDH1A1 (0.38) MAPTTSHRALDH1A1PAM
SCHEMBL27810676 0.72 HPGD (0.38) MAPTRAB9ATSHRALDH1A1MAPK1
SCHEMBL10781610 0.72 PAM (0.44) TSHRALDH1A1PAMMEN1KMT2A
Styrene SCHEMBL1904235 0.72 ALDH1A1 (0.58) MAPTTSHRALDH1A1SMN1; SMN2PAM
Biphenyl SCHEMBL11045970 0.71 LMNA (0.48) MAPTRAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL27510801 0.71 GRIN2D (0.41) MAPTRAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL28203239 0.71 ALDH1A1 (0.50) TSHRALDH1A1PAMLMNA

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
WO-1995021602-A1 POLYMER-CONTAINING HAIR CARE PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-08-17 WO disclosed