SCHEMBL8409698

SCHEMBL8409698

O=C(Cc1ccc(OC2(C(=O)O)CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RORC P51449 2/20 0.43
MAP4K4 O95819 1/20 0.43
NLRP3 Q96P20 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7906816 0.99 NPC1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8412728 0.86 ALDH1A1 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6358103 0.85 ALDH1A1 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6353569 0.78 MAPT (0.40) MAPTMEN1KMT2ARORCNLRP3
SCHEMBL6357895 0.76 RORC (0.49) RAB9AMAPTMEN1KMT2ARORC
SCHEMBL2655299 0.76 MAP4K4 (0.60) RAB9AMAPTMEN1KMT2AMAP4K4
SCHEMBL6353572 0.74 RORC (0.40) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL31117822 0.74 MAP4K4 (0.61) RAB9AMAPTMEN1KMT2AMAP4K4
SCHEMBL6358821 0.74 CTSK (0.44) RAB9AMAPTMEN1KMT2AKDM4E
SCHEMBL6358099 0.74 ALDH1A1 (0.39) MAPTMEN1KMT2ARORCNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 US disclosed
US-5591892-A CARBOXYALKOXYPHENYL SUBSTITUTED INDANES CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-01-07 US disclosed
US-5432191-A Ring-substituted phenoxymethyl /or substituted methyl/ carboxylates THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1995-07-11 US disclosed