SCHEMBL8599971

SCHEMBL8599971

CCCCCNC(=O)CCc1ccc(OCC(C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.61
▸ POLB P06746 1/20 0.54
▸ STS P08842 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 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
SCHEMBL8559951 0.88 LMNA (0.56) HPGDKMT2AKDM4ELMNA
SCHEMBL8594556 0.82 EPHX2 (0.60) HPGDSTSCNR1LMNA
SCHEMBL8559049 0.80 NPC1 (0.60) KMT2A
SCHEMBL11367962 0.79 HPGD (0.82) HPGDPOLBKMT2A
SCHEMBL22291866 0.79 POLB (0.81) HPGDPOLBCNR1
SCHEMBL15331657 0.77 ALDH1A1 (0.50) KMT2AKDM4ELMNA
SCHEMBL2187602 0.77 HPGD (1.00) HPGDKDM4ELMNA
SCHEMBL8599968 0.76 HPGD (0.64) HPGDPOLBSTS
SCHEMBL12793394 0.76 POLB (0.71) HPGDPOLBKMT2ACNR1
SCHEMBL28742538 0.76 POLB (0.86) POLBKMT2ACNR1

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
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
Send feedback