SCHEMBL10839822

SCHEMBL10839822

CCOC(=O)N(CCCCCBr)CCCCCBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DNM1 Q05193 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
CCR6 P51684 1/20 0.32
PAX8 Q06710 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CA2 P00918 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
SCHEMBL10837228 0.98 ALDH1A1 (0.40) ALDH1A1TRPA1CA12CA1CA9
SCHEMBL27899128 0.93 CA12 (0.39) ALDH1A1TRPA1CA12CA1CA9
SCHEMBL6463761 0.92 ALDH1A1 (0.41) ALDH1A1TRPA1CA12CA1CA9
SCHEMBL9500521 0.84 CA12 (0.45) CA12CA1CA9DNM1CA2
SCHEMBL25275015 0.84 CA12 (0.45) CA12CA1CA9DNM1CA2
SCHEMBL25227673 0.84 CA12 (0.45) CA12CA1CA9DNM1CA2
SCHEMBL25276942 0.84 CA12 (0.45) CA12CA1CA9DNM1CA2
SCHEMBL4647473 0.84 CA12 (0.45) CA12CA1CA9DNM1CA2
SCHEMBL6897040 0.84 CA12 (0.45) CA12CA1CA9DNM1CA2
SCHEMBL2436139 0.84 CA12 (0.45) CA12CA1CA9DNM1CA2

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
US-4591618-A HIGH STRENGTH BONDING AGENTS BRIDGESTONE TIRE CO., LTD. (JP) 1986-05-27 US disclosed
US-4117036-A ANAEROBIC CURABILITY, SEALANTS BRIDGESTONE TIRE COMPANY LIMITED (JP) 1978-09-26 US disclosed