SCHEMBL7863787

SCHEMBL7863787

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.56
POLB P06746 2/20 0.54
CASP6 P55212 1/20 0.54
HPGD P15428 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RXRA P19793 2/20 0.52
RXRB P28702 1/20 0.52
MEN1 O00255 1/20 0.52
MITF O75030 1/20 0.52
TP53 P04637 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
KMT2A Q03164 1/20 0.52
RELA Q04206 1/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL7861369 0.90 HPGD (0.52) MRGPRX4POLBCASP6HPGDNPC1
SCHEMBL1600077 0.90 MRGPRX4 (0.62) MRGPRX4POLBHPGDNPC1RAB9A
SCHEMBL29556736 0.90 MRGPRX4 (0.62) MRGPRX4POLBHPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL10857748 0.88 MRGPRX4 (0.61) MRGPRX4POLBHPGDNPC1RAB9A
SCHEMBL13434463 0.86 SMPD1 (0.60) MRGPRX4POLBCASP6HPGDNPC1
SCHEMBL3944668 0.86 MRGPRX4 (0.59) MRGPRX4POLBHPGDNPC1RAB9A
SCHEMBL17835565 0.85 SMPD1 (0.61) MRGPRX4POLBCASP6HPGDNPC1
SCHEMBL4280782 0.83 MRGPRX4 (0.74) MRGPRX4POLBCASP6HPGDNPC1
SCHEMBL2802191 0.83 RXRA (0.55) MRGPRX4POLBCASP6HPGDNPC1
SCHEMBL1811555 0.82 RXRA (0.56) MRGPRX4HPGDNPC1RAB9ASMN1; SMN2

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
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
US-5760040-A THERAPEUTIC AGENT FOR PROSTATIC HYPERTROPHY, URINATION DISORDER, ALOPECIA AND ACNE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
EP-0753511-A1 INDOLE DERIVATIVE AND MEDICINE CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-15 EP disclosed