SCHEMBL28865619

SCHEMBL28865619

CC=C(C)CCC=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.40
ELANE P08246 2/20 0.38
MAPT P10636 2/20 0.36
ICMT O60725 1/20 0.36
GMNN O75496 1/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CDK2 P24941 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7751273 0.83 ELANE (0.41) ELANEMAPTCYP1A2CYP3A4TSHR
SCHEMBL7180695 0.83 ELANE (0.41) ELANEMAPTRECQLHSD17B10ALDH1A1
SCHEMBL2048211 0.81 ELANE (0.40) ELANEMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL2810165 0.80 ELANE (0.39) ELANEMAPTRECQLHSD17B10ALDH1A1
SCHEMBL27633096 0.80 ZDHHC2 (0.45) ELANERECQLPPARGKMT2A
SCHEMBL3184463 0.80 MTNR1A (0.47) MAPTRECQLALDH1A1
SCHEMBL432377 0.79 ELANE (0.42) ELANEMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL4057744 0.79 ELANE (0.42) ELANEMAPTHSD17B10ALDH1A1KMT2A
SCHEMBL20542045 0.79 ELANE (0.38) ELANEMAPTRECQLALDH1A1BTN3A1
SCHEMBL27598507 0.79 ZDHHC2 (0.47) PPARG

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-104582694-B Dihydroorotic acid dehydrogenase inhibitor 线粒体科学公司研究所 2018-10-02 CN disclosed