SCHEMBL31117604

SCHEMBL31117604

CC[N+](CC)(CC)CCCOc1c2occc2c(Br)c2ccc(=O)oc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNA2 P16389 1/20 0.57
▸ CYP1A1 P04798 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP1B1 Q16678 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ABCB1 P08183 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ BACE1 P56817 3/20 0.43
▸ MAOA P21397 1/20 0.43
▸ KCNA3 P22001 9/20 0.40
▸ KCNA5 P22460 6/20 0.40

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
Bromide SCHEMBL8484847 0.85 KCNA2 (0.44) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL7893642 0.83 KCNA2 (0.58) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL20278630 0.82 KCNA2 (0.56) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL4188097 0.82 KCNA2 (0.57) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
Hydrochloric Acid SCHEMBL9222829 0.77 KCNA2 (0.54) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL4187228 0.76 CYP3A4 (0.80) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL3014054 0.73 KCNA2 (1.00) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL3519659 0.73 KCNA2 (0.47) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
Bromide SCHEMBL4319744 0.72 KCNA2 (0.46) KCNA2CYP1A1KDM4ECYP1A2CYP1B1
SCHEMBL4268685 0.68 KCNA2 (0.60) KCNA2CYP1A1KDM4ECYP1A2CYP1B1

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-118820666-A Multi-factor capacity calculation method for deep water low permeability gas reservoir 中海石油(中国)有限公司海南分公司 2024-10-22 — — CN disclosed
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