SCHEMBL7861369

SCHEMBL7861369

O=C(Cl)c1ccc(OCc2ccccc2)c(OCCCCl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SMPD1 P17405 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
GLRA1 P23415 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 1/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL29557477 0.92 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL1599431 0.92 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL7863787 0.90 MRGPRX4 (0.56) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL13434464 0.88 SMPD1 (0.57) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL3944668 0.87 MRGPRX4 (0.59) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL341137 0.83 NPC1 (0.73) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL184987 0.83 SMPD1 (0.71) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL8756076 0.80 MRGPRX4 (0.61) HPGDNPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL4374620 0.80 HPGD (0.64) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL1600077 0.79 MRGPRX4 (0.62) HPGDNPC1RAB9ASMN1; SMN2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753511-B1 4-INDOL-1-YL BUTYRIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ALPHA1-ADRENERGIC RECEPTORS AND TESTOSTERONE 5ALPHA-REDUCTASES ZERIA PHARM CO LTD (JP) 2001-07-11 EP disclosed
CN-1067985-C Indole derivative and medicine containing the same ZERIA PHARM CO LTD (JP) 2001-07-04 CN disclosed
US-5760040-A THERAPEUTIC AGENT FOR PROSTATIC HYPERTROPHY, URINATION DISORDER, ALOPECIA AND ACNE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
CN-1145617-A Indole derivatives and drugs containing the same ZERIA PHARM CO LTD (JP) 1997-03-19 CN disclosed
EP-0753511-A1 INDOLE DERIVATIVE AND MEDICINE CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-15 EP disclosed