SCHEMBL11538890

SCHEMBL11538890

C=Cc1cc(C(C)(C)CC)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ UBE2N P61088 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.30

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
SCHEMBL11542405 0.87 CNR2 (0.35) —
SCHEMBL11542458 0.86 NPC1 (0.39) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11543610 0.84 CNR2 (0.39) —
SCHEMBL29571473 0.82 MAPT (0.41) SMN1; SMN2NPC1RAB9ALMNACASP3
SCHEMBL11541907 0.82 MAPT (0.41) SMN1; SMN2NPC1RAB9ALMNACASP3
SCHEMBL11548788 0.79 MAPK1 (0.39) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11540638 0.79 MAPK1 (0.39) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL20886560 0.77 MAPK1 (0.37) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11546610 0.76 NPC1 (0.39) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11542410 0.76 — —

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-4178327-A FIREPROOFING THE DOW CHEMICAL COMPANY (US) 1979-12-11 — — US disclosed
US-4054733-A MOLDING MATERIALS THE DOW CHEMICAL COMPANY (US) 1977-10-18 — — US disclosed
Send feedback