SCHEMBL9580589

SCHEMBL9580589

C=Cc1ccc(CCCCCCCC)cc1.C=Cc1ccccc1C=C.CCCCCCCCCCCC[N+](C)(C)CC=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ CYSLTR2 Q9NS75 2/20 0.36
▸ CYSLTR1 Q9Y271 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ TRPM2 O94759 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ THRA P10827 3/20 0.35
▸ THRB P10828 3/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ESR1 P03372 1/20 0.35

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
SCHEMBL10444610 0.83 CYSLTR2 (0.39) MEN1KMT2ATP53CYSLTR2CYSLTR1
SCHEMBL11081808 0.81 DNM1 (0.54) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL32674559 0.80 KMT2A (0.55) DNM1MEN1KMT2ATP53MAPK1
Hydrochloric Acid SCHEMBL8070951 0.80 KMT2A (0.55) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL6633876 0.79 TNNC1 (0.53) MEN1KMT2ATP53CYSLTR2CYSLTR1
Styrene SCHEMBL701625 0.79 THRB (0.51) MEN1KMT2ATP53THRATHRB
SCHEMBL9580596 0.77 MEN1 (0.37) DNM1MEN1KMT2ATP53MAPK1
Styrene SCHEMBL27863897 0.75 KMT2A (0.53) DNM1MEN1KMT2ATP53MAPK1
Styrene SCHEMBL27863894 0.75 KMT2A (0.53) DNM1MEN1KMT2ATP53MAPK1
Styrene SCHEMBL9580582 0.75 EGFR (0.37) DNM1MEN1KMT2ATP53MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5230885-A Anticholesterol agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-27 — — US claimed
US-5230885-A Anticholesterol agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-27 — — US disclosed
EP-0403271-A2 Polymer compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-12-19 — — EP disclosed
Send feedback