SCHEMBL9119401

SCHEMBL9119401

COc1cc(O)cc(O)c1C(=O)CCl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYNJ2 O15056 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
CYP3A4 P08684 6/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP19A1 P11511 1/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNA3 P22001 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS1 P23219 1/20 0.47
DRD3 P35462 1/20 0.47
APP P05067 1/20 0.47
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL7905410 0.91 CYP3A4 (0.47) SYNJ2MEN1KMT2AMAPTGAA
SCHEMBL7901522 0.88 CYP3A4 (0.65) MEN1KMT2AMAPTHPGDCYP3A4
SCHEMBL5707803 0.81 CYP3A4 (0.61) MEN1KMT2AMAPTGAAHPGD
SCHEMBL28047696 0.80 FFAR1 (0.57) SYNJ2MEN1KMT2AMAPTGAA
SCHEMBL1937218 0.78 CYP3A4 (0.76) SYNJ2MEN1KMT2AMAPTGAA
SCHEMBL18677488 0.78 SYNJ2 (0.60) SYNJ2MEN1KMT2AMAPTGAA
SCHEMBL29757572 0.78 CYP3A4 (0.76) SYNJ2MEN1KMT2AMAPTGAA
SCHEMBL8894531 0.77 ACHE (0.43) MEN1KMT2AMAPTGAACYP3A4
SCHEMBL827858 0.77 CYP3A4 (0.53) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL14925438 0.75 NR1H2 (0.51) SYNJ2MEN1KMT2AMAPTGAA

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-5405868-A Treating skin disorders GOUPIL JEAN-JACQUES (FR) 1995-04-11 US disclosed
US-5360816-A ORALLY ADMINISTERING 5-METHOXY-PSORALEN TO A PATIENT AND THEN EXPOSING PATIENT TO ULTRAVIOLET RADIATION GOUPIL JEAN JACQUES (FR) 1994-11-01 US disclosed
US-4429138-A MULTISTEP, FROM PHLOROGLUCINOL GOUPIL JEAN JACQUES (FR) 1984-01-31 US disclosed