SCHEMBL4304141

SCHEMBL4304141

OC1C=CC=CC1(Cl)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HSD11B1 P28845 1/20 0.34
CYP3A4 P08684 2/20 0.34
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
FUCA1 P04066 2/20 0.33
EPHX2 P34913 1/20 0.32
MAPT P10636 4/20 0.32
KDM1A O60341 2/20 0.32
TSHR P16473 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9137089 0.76 HSD11B1 (0.38) ALDH1A1HSD11B1CYP3A4MAOAMAOB
SCHEMBL8613513 0.72 CYP3A4 (0.41) ALDH1A1HSD11B1CYP3A4MEN1KMT2A
SCHEMBL29183703 0.71
SCHEMBL2030500 0.70
Bromide SCHEMBL15942199 0.69
SCHEMBL11877126 0.69 MMP9 (0.31) ALDH1A1HSD11B1CYP3A4CYP1A2CYP2C9
SCHEMBL11103608 0.68
SCHEMBL15717016 0.67 ALDH1A1 (0.33) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL29963909 0.66 HSD11B1 (0.33) HSD11B1
SCHEMBL5790163 0.66 MAOA (0.38) HSD11B1CYP3A4MAOAMAOBMEN1

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-20090105791-A1 LIGHT EMITTING MEDICAL GARMENT DEVICE, KIT AND METHOD OF USING NEUROPHYSIOLOGICAL CONCEPTS LLC 2009-04-23 US claimed
US-5185371-A Mixing with isotonic solution from group of ethanol, hydrochloric acid, formaldehyde, povidone with water UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1993-02-09 US claimed
US-20090105791-A1 LIGHT EMITTING MEDICAL GARMENT DEVICE, KIT AND METHOD OF USING NEUROPHYSIOLOGICAL CONCEPTS LLC 2009-04-23 US disclosed