SCHEMBL8849672

SCHEMBL8849672

CCC(c1ccccc1)C(CCO)CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.42
TRPA1 O75762 1/20 0.40
LMNA P02545 4/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
CPA3 P15088 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NR4A2 P43354 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL28378824 0.80 HKDC1 (0.45) HKDC1LMNAHSD17B10ALDH1A1CYP1A2
SCHEMBL27580075 0.78 MEN1 (0.44) HKDC1LMNAHSD17B10ALDH1A1CYP1A2
SCHEMBL28381979 0.77 HKDC1 (0.42) HKDC1LMNAHSD17B10ALDH1A1CYP1A2
SCHEMBL28382136 0.77 HKDC1 (0.42) HKDC1LMNAHSD17B10ALDH1A1CYP1A2
SCHEMBL26269478 0.75 TAAR1 (0.53) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL3056333 0.74 GABBR2 (0.47) LMNAHSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL7051893 0.74 ACE (0.40) HKDC1LMNAHSD17B10ALDH1A1CYP1A2
SCHEMBL27305718 0.73 CYP2C19 (0.48) LMNAHSD17B10ALDH1A1CYP1A2CYP2D6
SCHEMBL7047111 0.73 NAALAD2 (0.39) HKDC1LMNAHSD17B10ALDH1A1CYP1A2
Benzoic Acid SCHEMBL27567446 0.73 TSHR (0.52) LMNAALDH1A1TSHRMEN1KMT2A

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
EP-0358603-B1 Epoxy resins modified by block polymers and either polyurethanes or polyureas. CIBA GEIGY AG (CH) 1997-12-29 EP disclosed
EP-0358603-A2 Epoxy resins modified by block polymers CIBA-GEIGY AG (CH) 1990-03-14 EP disclosed