SCHEMBL11329634

SCHEMBL11329634

Cc1ccccc1Cc1ccccc1OCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.47
DRD1 P21728 3/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
DRD3 P35462 2/20 0.45
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL15510160 0.89 ALDH1A1 (0.50) HRH1DRD1DRD2DRD4DRD5
SCHEMBL29386728 0.89 ALDH1A1 (0.50) HRH1DRD1DRD2DRD4DRD5
SCHEMBL4350513 0.82 HPGD (0.67) HRH1DRD1DRD2DRD4DRD5
SCHEMBL515977 0.81 ALDH1A1 (0.62) DRD2DRD4L3MBTL1CYP1A2CYP3A4
SCHEMBL8504454 0.80 HRH1 (0.50) HRH1DRD1DRD2DRD4DRD5
SCHEMBL10984130 0.79 L3MBTL1 (0.75) HRH1DRD1DRD2DRD4DRD5
SCHEMBL5147221 0.78 L3MBTL1 (0.67) DRD1DRD2L3MBTL1TSHRHPGD
SCHEMBL23697045 0.78 ALDH1A1 (0.53) HRH1DRD1DRD2DRD4DRD5
SCHEMBL9234526 0.77 SLC6A4 (0.46) TSHRSMN1; SMN2KMT2A
SCHEMBL7873203 0.77 IDO1 (0.53) L3MBTL1TP53HPGDSMN1; SMN2ALDH1A1

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-4255152-A USING A DISPERSE DYE, WATER, AND AN ADDUCT OF ETHYLENE, PROPYLENE, OR STYRENE OXIDE AND A CYCLIC-SUBSTITUTED PHENOL; LEVELLING CIBA-GEIGY CORPORATION (US) 1981-03-10 US claimed
US-4255152-A USING A DISPERSE DYE, WATER, AND AN ADDUCT OF ETHYLENE, PROPYLENE, OR STYRENE OXIDE AND A CYCLIC-SUBSTITUTED PHENOL; LEVELLING CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed