SCHEMBL11567424

SCHEMBL11567424

C=CCNOC(=O)c1ccccc1CC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CLCN2 P51788 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2R P25116 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11526565 0.82 ALDH1A1 (0.46) CYP3A4ALDH1A1LMNACLCN2UTS2R
SCHEMBL11528403 0.77 ALDH1A1 (0.47) MAPTCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL9421944 0.76 CYP3A4 (0.74) MAPTCYP3A4ALDH1A1LMNATSHR
SCHEMBL587284 0.76 KMT2A (0.50) MAPTCYP3A4ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL6379952 0.76 ALDH1A1 (0.46) MAPTCYP3A4ALDH1A1LMNACYP1A2
SCHEMBL5724688 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNACLCN2UTS2R
SCHEMBL9251505 0.76 CYP3A4 (0.44) CYP3A4ALDH1A1LMNACLCN2UTS2R
SCHEMBL156281 0.75 ALDH1A1 (0.66) MAPTALDH1A1LMNATSHRKDM4E
SCHEMBL24074659 0.74 ALDH1A1 (0.57) MAPTCYP3A4ALDH1A1LMNATSHR
SCHEMBL27900511 0.74 ALDH1A1 (0.49) ALDH1A1LMNACLCN2UTS2RTSHR

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
US-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 US disclosed