SCHEMBL18138490

SCHEMBL18138490

[CH2]CCCCCCCCCCCc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
HSPA5 P11021 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.32
MAPT P10636 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
SCHEMBL23706347 0.90 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL2163566 0.84 HSPA5 (0.41) HSPA5
SCHEMBL27467179 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL11143792 0.81 CA2 (0.39) ALDH1A1CA2
SCHEMBL11141250 0.81 CA2 (0.39) ALDH1A1CA2
SCHEMBL20534140 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL23654258 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1610871 0.75 HRH3 (0.42) SMN1; SMN2CA2MAPT
SCHEMBL1610475 0.75 HRH3 (0.42) SMN1; SMN2CA2MAPT
SCHEMBL1610994 0.75 HRH3 (0.42) SMN1; SMN2CA2MAPT

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-3081598-B1 POLYAMIDE COMPOSITION, MOLDED ARTICLE, REFLECTIVE BOARD FOR LEDS, AND METHOD FOR PREVENTING HEAT-INDUCED REFLECTIVITY REDUCTION ASAHI CHEMICAL IND (JP) 2020-06-10 EP disclosed
EP-3081598-A1 POLYAMIDE COMPOSITION, MOLDED ARTICLE, REFLECTIVE BOARD FOR LEDS, AND METHOD FOR PREVENTING HEAT-INDUCED REFLECTIVITY REDUCTION Asahi Kasei Kabushiki Kaisha (JP) 2016-10-19 EP disclosed